SCHEMBL4131954

SCHEMBL4131954

CN(C)Cc1c(OCc2ccc(F)cc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.42
BCHE P06276 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PPARG P37231 2/20 0.34
NR1H2 P55055 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
NR1H3 Q13133 2/20 0.34
PREP P48147 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4114201 0.93 ACHE (0.48) ACHEBCHE
SCHEMBL4122115 0.91 ACHE (0.42) ACHEBCHEGRIN2BKMT2ANPC1
SCHEMBL13596157 0.91 GPR119 (0.41) ACHE
SCHEMBL4112441 0.90 ACHE (0.42) ACHEBCHEPREP
SCHEMBL4125364 0.88 ACHE (0.41) ACHEBCHEPPARGNR1H2PPARD
SCHEMBL4127264 0.88 ACHE (0.41) ACHEBCHEGRIN2BKMT2ANPC1
SCHEMBL4120929 0.87 ACHE (0.59) ACHEBCHE
SCHEMBL4133262 0.87 ACHE (0.47) ACHEBCHEPPARGNR1H2PPARD
SCHEMBL4131030 0.87 ACHE (0.41) ACHEBCHEPPARGNR1H2PPARD
Hydrochloric Acid SCHEMBL4112098 0.87 ACHE (0.58) ACHEBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885BCHE 2215/4885L3MBTL1 1961/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.